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	hartrees
Energy at 0K	-276.937961
Energy at 298.15K	-276.940230
HF Energy	-276.937961
Nuclear repulsion energy	110.971551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3255	3114	0.00
2	A_g	1787	1710	0.00
3	A_g	1317	1260	0.00
4	A_g	1183	1131	0.00
5	A_g	559	535	0.00
6	A_u	925	885	58.87
7	A_u	343	328	5.05
8	B_g	808	773	0.00
9	B_u	3247	3107	15.15
10	B_u	1320	1263	38.41
11	B_u	1210	1157	259.48
12	B_u	315	302	11.27

Atom	x (Å)	y (Å)
C1	-0.331	0.575
C2	0.331	-0.575
F3	0.331	1.742
F4	-0.331	-1.742
H5	-1.412	0.669
H6	1.412	-0.669

	C1	C2	F3	F4	H5	H6
C1		1.3267	1.3415	2.3166	1.0847	2.1407
C2	1.3267		2.3166	1.3415	2.1407	1.0847
F3	1.3415	2.3166		3.5458	2.0465	2.6414
F4	2.3166	1.3415	3.5458		2.6414	2.0465
H5	1.0847	2.1407	2.0465	2.6414		3.1238
H6	2.1407	1.0847	2.6414	2.0465	3.1238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.510	C1	C2	H6	124.879
C2	C1	F3	120.510	C2	C1	H5	124.879
F3	C1	H5	114.611	F4	C2	H6	114.611

All results from a given calculation for C₂H₂F₂ (Ethene, 1,2-difluoro-, (E)-)

using model chemistry: B3PW91/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.084
2	C	0.084
3	F	-0.266
4	F	-0.266
5	H	0.182
6	H	0.182

	x	y	z
x	3.306	-0.519	0.000
y	-0.519	4.469	0.000
z	0.000	0.000	1.661

<r²>	80.234
(<r²>)^1/2	8.957

All results from a given calculation for C2H2F2 (Ethene, 1,2-difluoro-, (E)-)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₂H₂F₂ (Ethene, 1,2-difluoro-, (E)-)